Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate)
TL;DR: Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate) (CAS 244642-02-2) is a chemical compound with molecular formula C17H18N2O6P+ and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-oxo-phenylmethoxyphosphanium
Also Known As: J2.019.067A, 5 -O-[(Benzyloxy)phosphinyl]-3 -deoxy-2 ,3 -didehydrothymidine, Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate), 2 ,3 -Didehydro-3 -deoxythymidine 5 -phosphonic acid benzyl ester, benzyl [(2S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl phosphonate
| Molecular Formula | C17H18N2O6P+ |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 2.18942 |
| Topological Polar Surface Area | 99.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.09024 |
| Heavy Atoms | 26 |
| Complexity | 920.84064 |
Chemical Identifiers
| CAS Number | 244642-02-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P+](=O)OCC3=CC=CC=C3 |
Product Overview
Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate) (CAS 244642-02-2), with molecular formula C17H18N2O6P+ and molecular weight 377.09 g/mol. IUPAC: [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-oxo-phenylmethoxyphosphanium.
Chemical Property Profile of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate)
Property Insights of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate)
The XLogP value of 2.18942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate). The TPSA of 99.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate). Following Lipinski's Rule of Five, Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate) has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate)?
The CAS number of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate) is 244642-02-2.
What is the molecular formula of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate)?
The molecular formula of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate) is C17H18N2O6P+.
What is the molecular weight of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate)?
The molecular weight of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate) is 377.09 g/mol.
Where can I buy Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate)?
You can request a quote for Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate)?
Yes, KEHONG BIO provides custom synthesis services for Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-(phenylmethyl phosphonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.